7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one

C14H8BrClN2OS — CID 177325807

IUPAC7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2[nH]c(=S)n1-c1ccccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,(H,17,20)
InChIKeyHWRKWXACPRYRGK-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.46
Rot. Bonds1

About 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one

7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 177325807) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID177325807
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2[nH]c(=S)n1-c1ccccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,(H,17,20)
InChIKeyHWRKWXACPRYRGK-UHFFFAOYSA-N
XLogP4.46
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(2-chlorophenyl)-1H-benzimidazole-2-thione
CID 43660780
7-bromo-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325664
7-bromo-3-(3-chloro-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325795
7-bromo-3-[2-chloro-3-(dimethylamino)phenyl]-2-sulfanylidene-1H-quinazolin-4-one;ethane
CID 177325819
7-bromo-3-(5-chloropyrimidin-4-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325644
6,8-dichloro-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 11501326
3-(5-bromo-2-chlorophenyl)-1H-benzimidazole-2-thione
CID 63547481
3-benzyl-7-bromo-2-sulfanylidene-1H-quinazolin-4-one
CID 177325632
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
CID 786570
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 4154748
3-(5-chloro-2-hydroxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4775290
7-bromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588976

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one (CID 177325807) is 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one is O=c1c2ccc(Br)cc2[nH]c(=S)n1-c1ccccc1Cl.
What is the InChIKey of 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is HWRKWXACPRYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,(H,17,20).
What are the key properties of 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one?
7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 367.66 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 177325807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).